SCHEMBL4159537

SCHEMBL4159537

O=C(O)CCc1c[nH]c2c(=O)[nH]c3cc(F)ccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.43
TSHR P16473 1/20 0.43
GPR17 Q13304 3/20 0.42
PARP1 P09874 3/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
HTR2A P28223 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4160621 0.91 MPO (0.49) MPOTSHRGPR17HPGDCYP2C19
SCHEMBL4166114 0.86 GPR17 (0.53) GPR17PARP1HPGDCYP2C19
SCHEMBL4153199 0.83 GPR17 (0.54) TSHRGPR17HPGDHTR2ACCNE2
SCHEMBL4171570 0.83 KDM4E (0.47) GPR17PARP1HPGDCYP2C19
SCHEMBL3245636 0.79 KDM4E (0.51) PARP1HPGDCDC25ACDC25CCCNE2
SCHEMBL4155432 0.79 CYP2C19 (0.44) GPR17PARP1HPGDCYP2C19GPR84
SCHEMBL4169910 0.79 HPGD (0.44) MPOTSHRGPR17PARP1HPGD
SCHEMBL4165123 0.79 HPGD (0.63) MPOTSHRGPR17PARP1HPGD
SCHEMBL5637957 0.78 HTR2A (0.63) MPOTSHRHPGDCYP2C19SLC6A4
Hydrochloric Acid SCHEMBL4161691 0.78 HPGD (0.62) MPOTSHRGPR17PARP1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 MPO 1053/4885TSHR 4040/4885GPR17 2461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.